NAG Fortran Library, Mark 21

FLL3A21DPL - License Managed

x86-32 Linux, PGI pgf77, Double Precision

Users' Note



Contents


1. Introduction

This document is essential reading for every user of the NAG Fortran Library Implementation specified in the title. It provides implementation-specific detail that augments the information provided in the NAG Fortran Library Manual. Wherever those manuals refer to the "Users' Note for your implementation", you should consult this note.

In addition, NAG recommends that before calling any library routine you should read the following reference material (see Section 5):

(a) Essential Introduction
(b) Chapter Introduction
(c) Routine Document

If you intend to use the NAG library within a multithreaded application please refer to the document on Thread Safety in the NAG Fortran Library Manual (see Section 5).

The libraries supplied with this implementation have been compiled in a manner that facilitates the use of multiple threads.

2. Availability of Routines

All routines listed in the chapter contents documents of the NAG Fortran Library Manual, Mark 21 are available in this implementation. Please consult Mark 21 News (see Section 5) for a list of new routines and for a list of routines scheduled for withdrawal at future Marks. Your suggestions for new algorithms for future releases of the Library are welcomed (see Section 7).

3. General Information

3.1. Accessing the Library

This section shows two ways of accessing the library depending on the location of the compiled libraries.

3.1.1. Libraries NOT in the linker search path

In this section we assume that the library has been installed in the directory [INSTALL_DIR].

By default [INSTALL_DIR] (see Installer's Note (in.html)) is /opt/NAG/fll3a21dpl or /usr/local/NAG/fll3a21dpl depending on your system; however it could have been changed by the installer. To identify [INSTALL_DIR] for this installation:

To use the NAG Fortran Library and the supplied ACML libraries, you may link in the following manner: 
 pgf77 driver.f [INSTALL_DIR]/lib/libnag_acml.a [INSTALL_DIR]/acml/libacml.a \
     -lpthread
where driver.f is your application program;

or 

 pgf77 driver.f [INSTALL_DIR]/lib/libnag_acml.so [INSTALL_DIR]/acml/libacml.so \
     -lpthread
if the shareable libraries are required.

However if you have problems when calling a NAG routine using libnag_acml.a or libnag_acml.so as described above, we suggest that you use the self-contained libraries as follows: 

  pgf77 driver.f [INSTALL_DIR]/lib/libnag_nag.a -lpthread
or 
  pgf77 driver.f [INSTALL_DIR]/lib/libnag_nag.so -lpthread
if the shareable library is required.

If your application has been linked with the shareable NAG and ACML libraries then the environment variable LD_LIBRARY_PATH must be set (or extended) to allow run time linkage.

In the C shell type: 

    setenv LD_LIBRARY_PATH [INSTALL_DIR]/lib:[INSTALL_DIR]/acml
to set LD_LIBRARY_PATH, or 
   setenv LD_LIBRARY_PATH ${LD_LIBRARY_PATH}:[INSTALL_DIR]/lib:[INSTALL_DIR]/acml
to extend LD_LIBRARY_PATH if you already have it set.

In the Bourne shell, type: 
   LD_LIBRARY_PATH=[INSTALL_DIR]/lib:[INSTALL_DIR]/acml
   export LD_LIBRARY_PATH
to set LD_LIBRARY_PATH, or 
   LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:[INSTALL_DIR]/lib:[INSTALL_DIR]/acml
   export LD_LIBRARY_PATH
to extend LD_LIBRARY_PATH if you already have it set.

3.1.2. Libraries in the linker search path

In this section we assume that the compiled libraries and the supplied ACML libraries are pointed at by symbolic links from a directory in the search path of the linker, such as /usr/lib.

To use the NAG Fortran Library and the supplied ACML libraries, you may link in the following manner: 

  pgf77 driver.f -lnag_acml -lacml -lpthread
To use the static library libnag_acml.a you need the -Bstatic compiler flag to switch static binding on and -Bdynamic to switch dynamic binding on: 
  pgf77 driver.f -Bstatic -lnag_acml -Bdynamic -lacml -lpthread
or to use the static libraries libnag_acml.a and libacml.a 
 
pgf77 driver.f -Bstatic -lnag_acml -lacml -Bdynamic -lpthread

However if you have problems when calling a NAG routine using libnag_acml.a or libnag_acml.so as described above, we suggest that you use the self-contained libraries as follows: 

  pgf77 driver.f -lnag_nag -lpthread
This will usually link to the shareable library in preference to the static library if both the libraries are at the same location.

To use the static library libnag_nag.a you need the -Bstatic compiler flag: 

  pgf77 driver.f -Bstatic -lnag_nag -Bdynamic -lpthread
If your application has been linked with the shareable NAG and ACML libraries then the environment variable LD_LIBRARY_PATH must be set (or extended) to allow run time linkage.

In the C shell type: 

   setenv LD_LIBRARY_PATH [INSTALL_DIR]/lib:[INSTALL_DIR]/acml
to set LD_LIBRARY_PATH, or 
   setenv LD_LIBRARY_PATH ${LD_LIBRARY_PATH}:[INSTALL_DIR]/lib:[INSTALL_DIR]/acml
to extend LD_LIBRARY_PATH if you already have it set.

In the Bourne shell, type: 

   LD_LIBRARY_PATH=[INSTALL_DIR]/lib:[INSTALL_DIR]/acml
   export LD_LIBRARY_PATH
to set LD_LIBRARY_PATH, or 
   LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:[INSTALL_DIR]/lib:[INSTALL_DIR]/acml
   export LD_LIBRARY_PATH
to extend LD_LIBRARY_PATH if you already have it set.

3.2. Example Programs

The directory [INSTALL_DIR]/scripts contains four scripts nagexample_acml, nagexample_shar_acml, nagexample and nagexample_shar.

The example programs are most easily accessed by one of the commands

Each command will provide you with a copy of an example program (and its data, if any), compile the program and link it with the appropriate libraries (showing you the compile command so that you can recompile your own version of the program). Finally, the executable program will be run, presenting its output to stdout.

The example program concerned is specified by the argument to the command, e.g. 

nagexample f08nhf
will copy the example program into the file f08nhfe.f in the current directory and process it to produce the example program results.

The example programs are supplied in machine-readable form. They are suitable for immediate execution. Note that the distributed example programs are those used in this implementation and may not correspond exactly with the programs published in the manual. The distributed example programs should be used in preference wherever possible.

The distributed example results are those obtained with the NAG self-contained static library libnag_nag.a, (using the NAG BLAS and LAPACK routines). Running the examples with vendor BLAS or LAPACK may give slightly different results.

3.3. Interpretation of Bold Italicised Terms

For this double precision implementation, the bold italicised terms used in the NAG Fortran Library Manual should be interpreted as: 

double precision     - DOUBLE PRECISION (REAL*8)
basic precision      - double precision
complex*16           - COMPLEX*16
additional precision - quadruple precision (REAL*16,COMPLEX*32)
machine precision    - the machine precision, see the value
                       returned by X02AJF in Section 4

Thus a parameter described as double precision should be declared as DOUBLE PRECISION in your program. If a routine accumulates an inner product in additional precision, it is using software to simulate quadruple precision.

All references to routines in Chapter F07 - Linear Equations (LAPACK) and Chapter F08 - Least-squares and Eigenvalue Problems (LAPACK) use the LAPACK name, not the NAG F07/F08 name.

3.4. Explicit Output from NAG Routines

Certain routines produce explicit error messages and advisory messages via output units which either have default values or can be reset by using X04AAF for error messages and X04ABF for advisory messages. (The default values are given in Section 4.) The maximum record lengths of error messages and advisory messages (including carriage control characters) are 80 characters, except where otherwise specified.

4. Routine-specific Information

Any further information which applies to one or more routines in this implementation is listed below, chapter by chapter.

  1. D03

    2. The example programs for D03RAF and D03RBF take much longer to run than other examples.

  2. F06, F07 and F08

    3. Many LAPACK routines have a "workspace query" mechanism which allows a caller to interrogate the routine to determine how much workspace to supply. Note that LAPACK routines from the ACML library may require a different amount of workspace than the equivalent NAG versions of these routines. Care should be taken when using the workspace query mechanism.

  3. G02

    4. The value of ACC, the machine-dependent constant mentioned in several documents in the chapter, is 1.0D-13.

  4. P01

    5. On hard failure, P01ABF writes the error message to the error message unit specified by X04AAF and then stops.

  5. S07 - S21

    6. The constants referred to in the NAG Fortran Library Manual have the following values in this implementation: 
    S07AAF  F(1)   = 1.0D+13
        F(2)   = 1.0D-14

S10AAF  E(1)   = 1.8500D+1
S10ABF  E(1)   = 7.080D+2
S10ACF  E(1)   = 7.080D+2

S13AAF  x(hi)  = 7.083D+2
S13ACF  x(hi)  = 1.0D+16
S13ADF  x(hi)  = 1.0D+17

S14AAF  IFAIL  = 1 if X > 1.70D+2
        IFAIL  = 2 if X < -1.70D+2
        IFAIL  = 3 if abs(X) < 2.23D-308
S14ABF  IFAIL  = 2 if X > 2.55D+305

S15ADF  x(hi)  = 2.66D+1
        x(low) = -6.25D+0
S15AEF  x(hi)  = 6.25D+0

S17ACF  IFAIL  = 1 if X > 1.0D+16
S17ADF  IFAIL  = 1 if X > 1.0D+16
        IFAIL  = 3 if 0.0D+00 < X <= 2.23D-308
S17AEF  IFAIL  = 1 if abs(X) > 1.0D+16
S17AFF  IFAIL  = 1 if abs(X) > 1.0D+16
S17AGF  IFAIL  = 1 if X > 1.038D+2
        IFAIL  = 2 if X < -5.6D+10
S17AHF  IFAIL  = 1 if X > 1.041D+2
        IFAIL  = 2 if X < -5.6D+10
S17AJF  IFAIL  = 1 if X > 1.041D+2
        IFAIL  = 2 if X < -1.8D+9
S17AKF  IFAIL  = 1 if X > 1.041D+2
        IFAIL  = 2 if X < -1.8D+9
S17DCF  IFAIL  = 2 if abs (Z) < 3.93D-305
        IFAIL  = 4 if abs (Z) or FNU+N-1 > 3.27D+4
        IFAIL  = 5 if abs (Z) or FNU+N-1 > 1.07D+9
S17DEF  IFAIL  = 2 if imag (Z) > 7.00D+2
        IFAIL  = 3 if abs (Z) or FNU+N-1 > 3.27D+4
        IFAIL  = 4 if abs (Z) or FNU+N-1 > 1.07D+9
S17DGF  IFAIL  = 3 if abs (Z) > 1.02D+3
        IFAIL  = 4 if abs (Z) > 1.04D+6
S17DHF  IFAIL  = 3 if abs (Z) > 1.02D+3
        IFAIL  = 4 if abs (Z) > 1.04D+6
S17DLF  IFAIL  = 2 if abs (Z) < 3.93D-305
        IFAIL  = 4 if abs (Z) or FNU+N-1 > 3.27D+4
        IFAIL  = 5 if abs (Z) or FNU+N-1 > 1.07D+9

S18ADF  IFAIL  = 2 if 0.0D+00 < X <= 2.23D-308
S18AEF  IFAIL  = 1 if abs(X) > 7.116D+2
S18AFF  IFAIL  = 1 if abs(X) > 7.116D+2
S18CDF  IFAIL  = 2 if 0.0D+00 < X <= 2.23D-308
S18DCF  IFAIL  = 2 if abs (Z) < 3.93D-305
        IFAIL  = 4 if abs (Z) or FNU+N-1 > 3.27D+4
        IFAIL  = 5 if abs (Z) or FNU+N-1 > 1.07D+9
S18DEF  IFAIL  = 2 if real (Z) > 7.00D+2
        IFAIL  = 3 if abs (Z) or FNU+N-1 > 3.27D+4
        IFAIL  = 4 if abs (Z) or FNU+N-1 > 1.07D+9

S19AAF  IFAIL  = 1 if abs(x) >= 4.95000D+1
S19ABF  IFAIL  = 1 if abs(x) >= 4.95000D+1
S19ACF  IFAIL  = 1 if X > 9.9726D+2
S19ADF  IFAIL  = 1 if X > 9.9726D+2

S21BCF  IFAIL  = 3 if an argument < 1.579D-205
        IFAIL  = 4 if an argument >= 3.774D+202
S21BDF  IFAIL  = 3 if an argument < 2.820D-103
        IFAIL  = 4 if an argument >= 1.404D+102

  6. X01

    7. The values of the mathematical constants are: 
    X01AAF (PI)    = 3.1415926535897932D+00
X01ABF (GAMMA) = 0.5772156649015329D+00

  7. X02

    8. The values of the machine constants are:
    The basic parameters of the model 
    X02BHF =     2
X02BJF =    53
X02BKF =  -1021
X02BLF =  1024
X02DJF =  .TRUE.
    Derived parameters of the floating-point arithmetic 
    X02AJF = 00000000,3CA00400 ( 1.11130722679765D-16 )
X02AKF = 00000000,00100000 ( 2.22507385850721D-308 )
X02ALF = FFFFFFFF,7FEFFFFF ( 1.79769313486231D+308 )
X02AMF = 00000000,00100000 ( 2.22507385850721D-308 )
X02ANF = 00000000,00100000 ( 2.22507385850721D-308 )
    Parameters of other aspects of the computing environment 
    X02AHF = 00000000,43F00000 ( 1.84467440737095D+19 )
X02BBF = 2147483647
X02BEF = 15
X02DAF = .FALSE.

  8. X04

    9. The default output units for error and advisory messages for those routines which can produce explicit output are both Fortran Unit 6.

    When using the routines X04ACF and X04ADF with the pgf90 compiler the it is possible to open and close a file on a given unit number for other library routines to write to. However, the opened file cannot be written to via that unit number from a pgf90 compiled program.

5. Documentation

A full online version of the NAG Fortran Library Manual is supplied in the form of Portable Document Format (PDF) files, with an HTML index, in the nagdoc_fl21 directory. The introductory material is also provided as HTML files in the nagdoc_fl21 directory.

A main index file has been provided (nagdoc_fl21/html/mark21.html) which contains a fully linked contents document pointing to all the available PDF (and where available HTML) files. Use your HTML browser to navigate from here.

In addition the following are provided:

6. Support from NAG

(a) Contact with NAG

Queries concerning this document or the implementation generally should be directed initially to your local Advisory Service. If you have difficulty in making contact locally, you can contact NAG directly at one of the addresses given in the Appendix. Users subscribing to the support service are encouraged to contact one of the NAG Response Centres (see below).

(b) NAG Response Centres

The NAG Response Centres are available for general enquiries from all users and also for technical queries from sites with an annually licensed product or support service.

The Response Centres are open during office hours, but contact is possible by fax, email and phone (answering machine) at all times.

When contacting a Response Centre it helps us deal with your enquiry quickly if you can quote your NAG site reference and NAG product code (in this case FLL3A21DPL).

(c) NAG Websites

The NAG websites provide information about implementation availability, descriptions of products, downloadable software, product documentation and technical reports. The NAG websites can be accessed at the following URLs:

http://www.nag.co.uk/, http://www.nag.com/ or http://www.nag-j.co.jp/

(d) NAG Electronic Newsletter

If you would like to be kept up to date with news from NAG then please register to receive our free electronic newsletter, which will alert you to special offers, announcements about new products or product/service enhancements, customer stories and NAG's event diary. You can register via one of our websites, or by contacting us at nagnews@nag.co.uk.

7. User Feedback

Many factors influence the way NAG's products and services evolve and your ideas are invaluable in helping us to ensure that we meet your needs. If you would like to contribute to this process we would be delighted to receive your comments. Please contact your local NAG Response Centre (shown below).

Appendix - Contact Addresses

NAG Ltd
Wilkinson House
Jordan Hill Road
OXFORD  OX2 8DR                         NAG Ltd Response Centre
United Kingdom                          email: support@nag.co.uk

Tel: +44 (0)1865 511245                 Tel: +44 (0)1865 311744
Fax: +44 (0)1865 310139                 Fax: +44 (0)1865 310139

NAG Inc
1431 Opus Place, Suite 220
Downers Grove
IL 60515-1362                           NAG Inc Response Center
USA                                     email: infodesk@nag.com

Tel: +1 630 971 2337                    Tel: +1 630 971 2345
Fax: +1 630 971 2706                    Fax: +1 630 971 2706

Nihon NAG KK
Hatchobori Frontier Building 2F
4-9-9
Hatchobori
Chuo-ku
Tokyo
104-0032
Japan
email: help@nag-j.co.jp

Tel: +81 (0)3 5542 6311
Fax: +81 (0)3 5542 6312